methyl 1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H29N3O4S/c1-15(2)8-13-25-20(27)17-6-4-5-7-18(17)23-22(25)30-14-19(26)24-11-9-16(10-12-24)21(28)29-3/h4-7,15-16H,8-14H2,1-3H3